![(E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/676/676157-13-4.png)
(E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 676157-13-4) is a chemical compound with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5Z)-1-(1,3-benzodioxol-5-ylmethyl)-5-({[2-(dimethylamino)ethyl]amino}methylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5Z)-1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(1,3-benzodioxol-5-ylmethyl)-5-[(2-dimethylaminoethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C17H20N4O4S |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | 1.36899 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.1205 |
| Heavy Atoms | 26 |
| Complexity | 948.75464 |
Chemical Identifiers
| CAS Number | 676157-13-4 |
|---|---|
| SMILES | CN(C)CCN=CC1=C(N(C(=S)NC1=O)CC2=CC3=C(C=C2)OCO3)O |
Product Overview
(E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 676157-13-4), with molecular formula C17H20N4O4S and molecular weight 376.12 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-5-[2-(dimethylamino)ethyliminomethyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.36899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 676157-13-4.
What is the molecular formula of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C17H20N4O4S.
What is the molecular weight of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 376.12 g/mol.
Where can I buy (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(benzo[d][1,3]dioxol-5-ylmethyl)-5-(((2-(dimethylamino)ethyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.